Chemical Properties of octanoyl glycine, PFP-TFE

InChI

InChI=1S/C15H19F8NO4/c1-2-3-4-5-6-7-10(25)24(8-11(26)28-9-13(16,17)18)12(27)14(19,20)15(21,22)23/h2-9H2,1H3

InChI Key

QNTQAXCHJZLGLX-UHFFFAOYSA-N

Formula

C15H19F8NO4

SMILES

CCCCCCCC(=O)N(CC(=O)OCC(F)(F)F)C(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

429.30

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-1855.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-2350.49	kJ/mol	Joback Calculated Property
ΔfusH°	46.01	kJ/mol	Joback Calculated Property
ΔvapH°	63.25	kJ/mol	Joback Calculated Property
log10WS	-4.72		Crippen Calculated Property
logPoct/wat	4.005		Crippen Calculated Property
McVol	256.930	ml/mol	McGowan Calculated Property
Pc	1283.75	kPa	Joback Calculated Property
Inp	[1470.00; 1470.00]
Inp	1470.00		NIST
Inp	1470.00		NIST
Tboil	723.54	K	Joback Calculated Property
Tc	889.82	K	Joback Calculated Property
Tfus	475.28	K	Joback Calculated Property
Vc	1.040	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[780.25; 845.90]	J/mol×K	[723.54; 889.82]
Cp,gas	780.25	J/mol×K	723.54	Joback Calculated Property
Cp,gas	793.03	J/mol×K	751.25	Joback Calculated Property
Cp,gas	805.00	J/mol×K	778.97	Joback Calculated Property
Cp,gas	816.23	J/mol×K	806.68	Joback Calculated Property
Cp,gas	826.76	J/mol×K	834.39	Joback Calculated Property
Cp,gas	836.63	J/mol×K	862.10	Joback Calculated Property
Cp,gas	845.90	J/mol×K	889.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to octanoyl glycine, PFP-TFE.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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